cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole

C87H115N15OS — CID 159980973

IUPACcumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cscn1.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/C11H12N2.C11H15NO.3C10H12N2.C9H12.C8H11N.2C6H10N2.C6H9NS/c1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6/h3-8H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyOFTNPSJAWHOKTD-UHFFFAOYSA-N
MW1419.05 g/mol
LogP23.32
Rot. Bonds10

About cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole

cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole (PubChem CID 159980973) has the molecular formula C87H115N15OS and a molecular weight of 1419.05 g/mol. Its IUPAC name is cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole
PubChem CID159980973
Molecular FormulaC87H115N15OS
Molecular Weight1419.05 g/mol
Exact Mass1417.91
IUPAC Namecumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cscn1.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/C11H12N2.C11H15NO.3C10H12N2.C9H12.C8H11N.2C6H10N2.C6H9NS/c1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6/h3-8H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyOFTNPSJAWHOKTD-UHFFFAOYSA-N
XLogP23.32
TPSA193.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001419.05
LogP ≤ 523.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

bis(1H-benzimidazole);5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyridin-3-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 158030834
1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 158043085
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 158377509
(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158513087
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 159498526
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
CID 159652200
2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline
CID 164978253
N-[2-methoxy-3-[3-[4-[2-methoxy-3-[3-[4-(2-methoxy-5-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1H-pyrazol-4-yl]-5-pyridin-2-ylanilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1H-pyrazol-4-yl]-5-thiophen-3-ylphenyl]-5-(1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 132049243
3-[3-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1-methylpyrazol-4-yl]-2-N,2-N-dimethyl-1-N-[3-(1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-5-thiophen-3-ylbenzene-1,2-diamine
CID 137245142
N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 142373503
3aH-benzotriazole;1,3-benzodioxole;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-1,4-benzoxazine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;3H-indole;isoquinoline;heptadecakis(2-methylpropane);quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline
CID 157050923
2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277

Frequently Asked Questions

What is the IUPAC name of cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole (CID 159980973) is cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole is CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cscn1.CC(C)c1ncc2ccccc2n1.
What is the InChIKey of cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole?
The InChIKey is OFTNPSJAWHOKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C11H15NO.3C10H12N2.C9H12.C8H11N.2C6H10N2.C6H9NS/c1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6/h3-8H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3.
What are the key properties of cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole?
cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole has a molecular weight of 1419.05 g/mol, XLogP of 23.32, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylquinazoline;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159980973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).